2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine

C9H14F3N5S — CID 114567594

IUPAC2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCSC(C)CNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5S/c1-5(18-2)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyVQEIWBQOFHHUFU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.94
Rot. Bonds5

About 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567594) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567594
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCSC(C)CNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C9H14F3N5S/c1-5(18-2)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyVQEIWBQOFHHUFU-UHFFFAOYSA-N
XLogP1.94
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 114567567
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567594) is 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine is CSC(C)CNc1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VQEIWBQOFHHUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c1-5(18-2)4-14-7-3-6(9(10,11)12)15-8(16-7)17-13/h3,5H,4,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).